1-Methyl-4-thiouracil
TL;DR: 1-Methyl-4-thiouracil (CAS 35455-86-8) is a chemical compound with molecular formula C5H6N2OS and molecular weight 142.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-sulfanylidenepyrimidin-2-one
Also Known As: 1-Methyl-4-thiouracil, Uracil, 1-methyl-4-thio-, 1-methyl-4-sulfanylidenepyrimidin-2-one, 1-methyl-4-thioxopyrimidin-2(1H,3H)-one, 1-Methyl-4-thioxo-3,4-dihydropyrimidine-2 -one
| Molecular Formula | C5H6N2OS |
|---|---|
| Molecular Weight | 142.02 g/mol |
| LogP | 0.44289 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 142.02008 |
| Heavy Atoms | 9 |
| Complexity | 311.2243 |
Chemical Identifiers
| CAS Number | 35455-86-8 |
|---|---|
| SMILES | CN1C=CC(=S)NC1=O |
Product Overview
1-Methyl-4-thiouracil (CAS 35455-86-8), with molecular formula C5H6N2OS and molecular weight 142.02 g/mol. IUPAC: 1-methyl-4-sulfanylidenepyrimidin-2-one.
Chemical Property Profile of 1-Methyl-4-thiouracil
Property Insights of 1-Methyl-4-thiouracil
The XLogP value of 0.44289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-thiouracil. With a topological polar surface area (TPSA) of 37.79 Ų, 1-Methyl-4-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-thiouracil has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl-4-thiouracil?
The CAS number of 1-Methyl-4-thiouracil is 35455-86-8.
What is the molecular formula of 1-Methyl-4-thiouracil?
The molecular formula of 1-Methyl-4-thiouracil is C5H6N2OS.
What is the molecular weight of 1-Methyl-4-thiouracil?
The molecular weight of 1-Methyl-4-thiouracil is 142.02 g/mol.
Where can I buy 1-Methyl-4-thiouracil?
You can request a quote for 1-Methyl-4-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.